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ENAMINE-ZINC03273428

 MMsINC code: MMs01343966
Type: Neutral
Formula: C9H8Cl2N2O3
SMILES:   Clc1cc(Cl)cc(C(OCC(=O)N)=O)c1N
InChI:   InChI=1/C9H8Cl2N2O3/c10-4-1-5(8(13)6(11)2-4)9(15)16-3-7(12)14/h1-2H,3,13H2,(H2,12,14)

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Potential Energy
Epot(MMFF94)=53.6601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.08 g/mol  logS: -3.23463  SlogP: 1.2177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00711084  Sterimol/B1: 2.35025  Sterimol/B2: 2.39384  Sterimol/B3: 4.30973
  Sterimol/B4: 5.54638  Sterimol/L: 13.9602 
 
 Surface and Volume Properties
  Accessible surface: 441.845  Positive charged surface: 208.113  Negative charged surface: 233.732  Volume: 205.25
  Hydrophobic surface: 255.55  Hydrophilic surface: 186.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.